3,5-dinitro-N-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[(3-hydroxy-2-naphthalenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(3-hydroxy-2-naphthoyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H13N5O7S MolecularWeight: 455.40082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C19H13N5O7S/c25-16-8-11-4-2-1-3-10(11)7-15(16)18(27)21-22-19(32)20-17(26)12-5-13(23(28)29)9-14(6-12)24(30)31/h1-9,25H,(H,21,27)(H2,20,22,26,32)